logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05762297

 MMsINC code: MMs03375653
Type: Neutral
Formula: C15H24O2
SMILES:   OC1C2C3CC(C)(C1=O)C2(CCCC3(C)C)C
InChI:   InChI=1/C15H24O2/c1-13(2)6-5-7-14(3)10-9(13)8-15(14,4)12(17)11(10)16/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,14-,15+/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=160.89 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.355 g/mol  logS: -4.16142  SlogP: 2.7888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.417948  Sterimol/B1: 2.7951  Sterimol/B2: 4.73963  Sterimol/B3: 4.95393
  Sterimol/B4: 5.24303  Sterimol/L: 10.584 
 
 Surface and Volume Properties
  Accessible surface: 418.235  Positive charged surface: 288.619  Negative charged surface: 129.616  Volume: 243.5
  Hydrophobic surface: 275.979  Hydrophilic surface: 142.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.